Geometry & MOs

Info

ID:	334205
PubChem CID:	127252757
Reduced:	ClN3O5H24C25 (1)
Stoich.:	AB3C5D24E25 (1)
Weight, g/mol:	475.131425
ΔH_f, kcal/mol:	-122.69
Dipole, Da:	3.39
IP(EA), eV:	-8.78(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)butanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)N[C@@H](C)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations